6-(4-butoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-butoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-butoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-[(2-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-butoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-butoxyphenyl)-2-[(2-fluorobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C24H20F4N2OS MolecularWeight: 460.487013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3F

InChI

InChI=1S/C24H20F4N2OS/c1-2-3-12-31-18-10-8-16(9-11-18)22-13-20(24(26,27)28)19(14-29)23(30-22)32-15-17-6-4-5-7-21(17)25/h4-11,13H,2-3,12,15H2,1H3